Simbios Talk by Samuel Flores, Yale University, January 24, 2007

Title: Protein hinge motion prediction: Solving the problem of induced fit

Motions play an essential role in catalysis and protein-ligand interactions, but are difficult to observe directly.  A substantial portion of protein motions involve hinge bending.  We have developed HingeMaster, an online hinge finding tool, to identify the hinge location.  Our Conformation Explorer algorithm is then used to predict large scale conformational changes involving that hinge.  The predicted trajectory of ligand binding motion will be shown and compared to experimental results.